Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRF-LPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVL--QGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSF----PTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BDK Chain:A ((14-284))
-----LRDEYIMSKTLG----GEVKLAFERKTCKKVAIKIISK---------ALNVETEIEILKKLNHPCIIKIKNFFDAEDYYI--VLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGET--SLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDE
General information:
TITO was launched using:
RESULT:
Template:
4BDK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127668 for 1752 contacts (-72.9/contact) +
2D Compatibility (PS) -26107 + (NN) -11428 + (LL) 1384
1D Compatibility (HY) -20400 + (ID) 4800
Total energy: -189019.0 ( -107.89 by residue)
QMean score : 0.427
(partial model without unconserved sides chains):
PDB file :
Tito_4BDK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BDK-query.scw
PDB file :
Tito_Scwrl_4BDK.pdb
: